[2-(1H-indol-3-yl)-2-oxidanylidene-ethyl] (E)-3-(4-butoxy-3-ethoxy-phenyl)prop-2-enoate

Systemtic Name: [2-(1H-indol-3-yl)-2-oxidanylidene-ethyl] (E)-3-(4-butoxy-3-ethoxy-phenyl)prop-2-enoate Openeye Name: [2-(1H-indol-3-yl)-2-oxo-ethyl] (E)-3-(4-butoxy-3-ethoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(4-butoxy-3-ethoxyphenyl)-2-propenoic acid [2-(1H-indol-3-yl)-2-oxoethyl] ester IUPAC Name: [2-(1H-indol-3-yl)-2-oxoethyl] (E)-3-(4-butoxy-3-ethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(4-butoxy-3-ethoxy-phenyl)acrylic acid [2-(1H-indol-3-yl)-2-keto-ethyl] ester Formula: C25H27NO5 MolecularWeight: 421.48558

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C=CC(=O)OCC(=O)C2=CNC3=CC=CC=C32)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)/C=C/C(=O)OCC(=O)C2=CNC3=CC=CC=C32)OCC

InChI

InChI=1S/C25H27NO5/c1-3-5-14-30-23-12-10-18(15-24(23)29-4-2)11-13-25(28)31-17-22(27)20-16-26-21-9-7-6-8-19(20)21/h6-13,15-16,26H,3-5,14,17H2,1-2H3/b13-11+